[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-4-fluoranyl-benzoate

Systemtic Name: [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-4-fluoranyl-benzoate Openeye Name: [2-[[(1S)-1-(1-naphthyl)ethyl]amino]-2-oxo-ethyl] 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic acid [2-[[(1S)-1-(1-naphthalenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid [2-keto-2-[[(1S)-1-(1-naphthyl)ethyl]amino]ethyl] ester Formula: C21H19FN2O3 MolecularWeight: 366.385563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)C3=C(C=C(C=C3)F)N

Isomeric SMILES

C[C@@H](C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)C3=C(C=C(C=C3)F)N

InChI

InChI=1S/C21H19FN2O3/c1-13(16-8-4-6-14-5-2-3-7-17(14)16)24-20(25)12-27-21(26)18-10-9-15(22)11-19(18)23/h2-11,13H,12,23H2,1H3,(H,24,25)/t13-/m0/s1